1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol

C17H20BrN3O3 — CID 133362597

IUPAC1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3ncc(Br)cn3)CC2)c1
InChIInChI=1S/C17H20BrN3O3/c1-23-14-7-12(8-15(9-14)24-2)17(22)3-5-21(6-4-17)16-19-10-13(18)11-20-16/h7-11,22H,3-6H2,1-2H3
InChIKeySXIWRUPYFYEOIK-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.74
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol

1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol (PubChem CID 133362597) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
PubChem CID133362597
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3ncc(Br)cn3)CC2)c1
InChIInChI=1S/C17H20BrN3O3/c1-23-14-7-12(8-15(9-14)24-2)17(22)3-5-21(6-4-17)16-19-10-13(18)11-20-16/h7-11,22H,3-6H2,1-2H3
InChIKeySXIWRUPYFYEOIK-UHFFFAOYSA-N
XLogP2.74
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol (CID 133362597) is 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol is COc1cc(OC)cc(C2(O)CCN(c3ncc(Br)cn3)CC2)c1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
The InChIKey is SXIWRUPYFYEOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-23-14-7-12(8-15(9-14)24-2)17(22)3-5-21(6-4-17)16-19-10-13(18)11-20-16/h7-11,22H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol has a molecular weight of 394.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 133362597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).